SCHEMBL9339136

SCHEMBL9339136

Nc1nc(O)c(CCCCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(O)n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.68
ATIC P31939 2/20 0.68
DHFR P00374 8/20 0.64
TYMS P04818 2/20 0.60
FOLR2 P14207 3/20 0.58
FOLR1 P15328 3/20 0.58
SLC46A1 Q96NT5 2/20 0.58
SLC19A1 P41440 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dideazaacyclotetrahydrofolic Acid SCHEMBL9339115 0.95 GART (0.70) GARTATICDHFRTYMSFOLR2
SCHEMBL9339189 0.94 GART (0.69) GARTATICDHFRTYMSFOLR2
SCHEMBL9339203 0.93 DHFR (0.69) GARTATICDHFRTYMSFOLR2
SCHEMBL9339239 0.90 GART (0.75) GARTATICDHFRTYMSFOLR2
SCHEMBL9339217 0.89 GART (0.74) GARTATICDHFRTYMSFOLR2
SCHEMBL9343717 0.88 DHFR (0.74) GARTATICDHFRTYMSFOLR2
SCHEMBL9339198 0.88 GART (0.61) GARTATICDHFRTYMSFOLR2
SCHEMBL10405409 0.85 DHFR (0.63) GARTATICDHFRFOLR2FOLR1
SCHEMBL9037916 0.85 DHFR (0.69) GARTATICDHFRTYMSFOLR2
SCHEMBL9339838 0.84 DHFR (0.60) GARTATICDHFRTYMS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325343-B1 L-glutamic acid derivatives UNIV PRINCETON (US) 1994-06-22 EP disclosed
US-4871743-A L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed
EP-0325343-A2 L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-07-26 EP disclosed